SCHEMBL3656591

SCHEMBL3656591

CC(C)(C)OC(=O)NCc1ccccc1-n1cc(C=O)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
KCNA5 P22460 1/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
P2RX7 Q99572 1/20 0.40
DRD2 P14416 5/20 0.40
SETDB1 Q15047 1/20 0.39
KDM4A O75164 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.38
AKT1 P31749 1/20 0.37
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3654246 0.84 CA1 (0.52) CA1CA2CA9CA12KCNA5
SCHEMBL30159605 0.75 KCNA5 (0.56) CA1CA12KCNA5HDAC10HDAC6
SCHEMBL8018113 0.75 KCNA5 (0.56) CA1CA12KCNA5HDAC10HDAC6
SCHEMBL19126687 0.74 KCNA5 (0.49) CA1CA12KCNA5HDAC10HDAC6
SCHEMBL26696901 0.74 RXFP1 (0.43) CA1CA2CA9CA12KCNA5
SCHEMBL15177957 0.72 KCNA5 (0.40) KCNA5HDAC10HDAC6DRD2SETDB1
SCHEMBL29957744 0.72 KCNA5 (0.49) CA1CA12KCNA5HDAC10HDAC6
SCHEMBL3589707 0.71 KCNA5 (0.41) CA1CA12KCNA5HDAC10HDAC6
SCHEMBL21484230 0.71 HDAC10 (0.42) KCNA5HDAC10HDAC6KDM4AMEN1
SCHEMBL6990507 0.71 DRD2 (0.48) KCNA5DRD2KDM4ANAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
EP-2664618-A2 Chemokine receptor modulators Altiris Therapeutics (US) 2013-11-20 EP disclosed
EP-2262808-B1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2013-08-14 EP disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
EP-2262808-A2 CHEMOKINE RECEPTOR MODULATORS Altiris Therapeutics (US) 2010-12-22 EP disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 WO disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 CA1 3991/4885CA2 3334/4885CA9 3208/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 CA1 3991/4885CA2 3334/4885CA9 3208/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.